N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide

C22H30N2O4S — CID 9190712

IUPACN-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cc1NC(C)=O
InChIInChI=1S/C22H30N2O4S/c1-14(2)17-7-9-18(10-8-17)22(15(3)4)24-29(26,27)19-11-12-21(28-6)20(13-19)23-16(5)25/h7-15,22,24H,1-6H3,(H,23,25)/t22-/m0/s1
InChIKeyUIKFZKLAXGVMFI-QFIPXVFZSA-N
MW418.56 g/mol
LogP4.45
Rot. Bonds8

About N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide

N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide (PubChem CID 9190712) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide
PubChem CID9190712
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cc1NC(C)=O
InChIInChI=1S/C22H30N2O4S/c1-14(2)17-7-9-18(10-8-17)22(15(3)4)24-29(26,27)19-11-12-21(28-6)20(13-19)23-16(5)25/h7-15,22,24H,1-6H3,(H,23,25)/t22-/m0/s1
InChIKeyUIKFZKLAXGVMFI-QFIPXVFZSA-N
XLogP4.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 28557971
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N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 43874029
N-[5-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104873300
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CID 8817620
N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8797504
N-[5-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104981838
N-(3-acetamido-4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24666799
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 92675116
N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24666791
N-[2-methoxy-5-[(2-methylpropan-2-yl)oxysulfamoyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide (CID 9190712) is N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide is COc1ccc(S(=O)(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide?
The InChIKey is UIKFZKLAXGVMFI-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-14(2)17-7-9-18(10-8-17)22(15(3)4)24-29(26,27)19-11-12-21(28-6)20(13-19)23-16(5)25/h7-15,22,24H,1-6H3,(H,23,25)/t22-/m0/s1.
What are the key properties of N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide?
N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide has a molecular weight of 418.56 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 9190712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).